CID 20687351

4-(bromomethyl)-1,3,5-trimethyl-1h-pyrazole hydrobromide

Structural Information

Molecular Formula
C7H11BrN2
SMILES
CC1=C(C(=NN1C)C)CBr
InChI
InChI=1S/C7H11BrN2/c1-5-7(4-8)6(2)10(3)9-5/h4H2,1-3H3
InChIKey
OWJNOVWADAVTRX-UHFFFAOYSA-N
Compound name
4-(bromomethyl)-1,3,5-trimethylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

202.01056 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.01784 134.5
[M+Na]+ 224.99978 148.9
[M-H]- 201.00328 139.2
[M+NH4]+ 220.04438 157.5
[M+K]+ 240.97372 138.5
[M+H-H2O]+ 185.00782 134.5
[M+HCOO]- 247.00876 155.6
[M+CH3COO]- 261.02441 184.7
[M+Na-2H]- 222.98523 140.6
[M]+ 202.01001 155.1
[M]- 202.01111 155.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe